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loading...| Preferred Name |
acetylsalicylate |
|
| Synonyms |
2-(acetyloxy)benzoate acetylsalicylate |
|
| Definitions |
A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_13719 |
|
| charge |
-1 |
|
| database_cross_reference |
MetaCyc:CPD-524 Reaxys:3906821 Beilstein:3906821 HMDB:HMDB0001879 |
|
| definition |
A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. |
|
| formula |
C9H7O4 |
|
| has functional parent | ||
| has_exact_synonym |
2-(acetyloxy)benzoate acetylsalicylate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:13719 |
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| in_subset | ||
| inchi |
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/p-1 |
|
| inchikey |
BSYNRYMUTXBXSQ-UHFFFAOYSA-M |
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| is conjugate base of | ||
| label |
acetylsalicylate |
|
| mass |
179.14948 |
|
| monoisotopicmass |
179.03498 |
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| notation |
CHEBI:13719 |
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| prefLabel |
acetylsalicylate |
|
| smiles |
CC(=O)Oc1ccccc1C([O-])=O |
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| treeView | ||
| subClassOf |
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